ACCESSION: MSBNK-BAFG-CSL231109483
RECORD_TITLE: Butyl-triphenylphosphonium; LC-ESI-QTOF; MS2; 140 V
DATE: 2023.11.09
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541

CH$NAME: Butyl-triphenylphosphonium
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C₂₂H₂₄P⁺
CH$EXACT_MASS: 319.161
CH$SMILES: CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
CH$IUPAC: InChI=1S/C22H24P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3/q+1
CH$LINK: CAS 22444-89-9
CH$LINK: INCHIKEY BEVHTMLFDWFAQF-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 8.852 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 319.161
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-0zfr-2900000000-64928acc7bcca704e44e
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  56.9946 3.5 80
  65.0424 5 114
  74.0178 2.8 64
  76.0327 3.5 80
  77.0414 3.3 75
  78.0494 2.3 52
  78.9752 3.4 78
  79.9828 9.8 225
  80.9903 14.8 339
  87.0242 4.2 96
  89.0388 16.2 372
  102.0466 6.6 151
  103.9818 2.9 66
  107.0052 43.5 999
  113.0385 6.1 140
  115.0549 17.5 401
  126.0463 16.9 388
  131.0036 6.5 149
  133.0206 3.2 73
  139.0553 13.8 316
  150.0469 15.2 349
  151.0544 28.2 647
  152.0619 39.2 900
  155.0041 5 114
  156.0124 6 137
  157.0208 20.7 475
  179.0042 3.4 78
  180.0118 7.3 167
  181.0203 23.7 544
  183.0389 2.9 66
  224.0634 2.8 64
  226.0787 3.1 71
  255.0382 2.2 50
//